HRID1220015

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID61778

Bisulfate anion

HO4S-

HCID81531

Diisopropylethylamine

C8H19N

HCID3485182

Cyclopentylacetyl chloride

C7H11ClO

结构：O=S(=O)(Nc1nc2c(s1)C[NH2+]CC2)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID153793972

未命名化合物

PRODUCTS

生成物

结构：O=C(CC1CCCC1)N1CCc2nc(NS(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)sc2C1

HCID10459964

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c3134a9c96584c7d8e6c96482408083c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH:10]1([CH2:15][C:16](=[O:17])[Cl:18])[CH2:11][CH2:12][CH2:13][CH2:14]1.[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Cl:53][CH2:54][Cl:55].[ClH:19].[F:20][C:21]([c:22]1[cH:23][c:24]([S:32](=[O:33])(=[O:34])[NH:35][c:36]2[s:37][c:38]3[c:43]([n:44]2)[CH2:42][CH2:41][NH2+:40][CH2:39]3)[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1)([F:45])[F:46].[Na+:52].[S:47](=[O:48])(=[O:49])([OH:50])[O-:51]>>[CH:10]1([CH2:15][C:16](=[O:17])[N:40]2[CH2:39][c:38]3[s:37][c:36]([NH:35][S:32]([c:24]4[cH:23][c:22]([C:21]([F:20])([F:45])[F:46])[cH:27][c:26]([C:28]([F:29])([F:30])[F:31])[cH:25]4)(=[O:33])=[O:34])[n:44][c:43]3[CH2:42][CH2:41]2)[CH2:11][CH2:12][CH2:13][CH2:14]1